- InChI
- InChI=1S/C18H28O4/c1-6-9-15(5)16(13-12-14(3)4)22-18(20)11-8-10-17(19)21-7-2/h15-16H,3,6-11H2,1-2,4-5H3
- InChI Key
- APOAYNHPVDWQEL-UHFFFAOYSA-N
- Formula
- C18H28O4
- SMILES
-
C=C(C)C#CC(OC(=O)CCCC(=O)OCC)C
(C)CCC - Molecular Weight1
- 308.41
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7180 | Relay (... Calculated Property | |
| ΔfG° | -89.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -647.81 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 41.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.52 | kJ/mol | Relay (... Calculated Property |
| IE | 8.73 | eV | Relay (... Calculated Property |
| log10WS | -3.67 | Relay (... Calculated Property | |
| logPoct/wat | 3.647 | Crippen Calculated Property | |
| McVol | 266.460 | ml/mol | McGowan Calculated Property |
| Pc | 1444.64 | kPa | Joback Calculated Property |
| Inp | 1972.00 | NIST | |
| Tboil | 572.50 | K | Relay (... Calculated Property |
| Tc | 752.45 | K | Relay (... Calculated Property |
| Tfus | 267.31 | K | Relay (... Calculated Property |
| Vc | 0.948 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [776.81; 862.51] | J/mol×K | [768.50; 965.12] | 
|
| Cp,gas | 776.81 | J/mol×K | 768.50 | Joback Calculated Property |
| Cp,gas | 793.51 | J/mol×K | 801.27 | Joback Calculated Property |
| Cp,gas | 809.23 | J/mol×K | 834.04 | Joback Calculated Property |
| Cp,gas | 823.98 | J/mol×K | 866.81 | Joback Calculated Property |
| Cp,gas | 837.76 | J/mol×K | 899.58 | Joback Calculated Property |
| Cp,gas | 850.60 | J/mol×K | 932.35 | Joback Calculated Property |
| Cp,gas | 862.51 | J/mol×K | 965.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl ethyl ester.
Sources
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